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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017TS(5i-5k)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.18744554; Eh
thumbnail.jpeg20-Jul-2017MECP1t-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-31G(d)-2194.48471880; Eh
thumbnail.jpeg21-Jul-2017Int3ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49738032; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01129874; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92089820; Eh
thumbnail.jpeg3-Feb-2017TS1_solventFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--1968.79114978; Eh
thumbnail.jpeg20-Jul-2017MECP1s-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ; 6-31G(d)-2233.80060063; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.96864593; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS6-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.83977928; Eh
thumbnail.jpeg26-Sep-2016/Silver Adduct_CBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.21136682; Eh
Results 1-10 of 9032 (Search time: 0.002 seconds).